5-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide

C10H9FN4O2 — CID 80716624

IUPAC5-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1ncnc1NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C10H9FN4O2/c1-15-10(12-5-13-15)14-9(17)7-4-6(11)2-3-8(7)16/h2-5,16H,1H3,(H,12,13,14,17)
InChIKeyHVQMSTZJJRQDBQ-UHFFFAOYSA-N
MW236.21 g/mol
LogP0.91
Rot. Bonds2

About 5-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide

5-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 80716624) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID80716624
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Name5-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1ncnc1NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C10H9FN4O2/c1-15-10(12-5-13-15)14-9(17)7-4-6(11)2-3-8(7)16/h2-5,16H,1H3,(H,12,13,14,17)
InChIKeyHVQMSTZJJRQDBQ-UHFFFAOYSA-N
XLogP0.91
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (CID 80716624) is 5-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is Cn1ncnc1NC(=O)c1cc(F)ccc1O.
What is the InChIKey of 5-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is HVQMSTZJJRQDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-15-10(12-5-13-15)14-9(17)7-4-6(11)2-3-8(7)16/h2-5,16H,1H3,(H,12,13,14,17).
What are the key properties of 5-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
5-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 236.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 80716624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).